9AWB

Crystal structure of trypsin at 175 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	175
Detector technology	CMOS
Collection date	2023-11-04
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.441, 58.303, 66.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.146 - 1.495
Rwork	0.184
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.626
Data reduction software	SAINT
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.150	23.150
High resolution limit [Å]	1.495	1.500
Number of reflections	34642	1752
<I/σ(I)>	12.1
Completeness [%]	98.8
Redundancy	10
CC(1/2)	0.798	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.